9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Nonanoate
[CAS# 56933-62-1]

Identification

• Name: 9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Nonanoate
• Synonyms: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Nonanoate; Nonanoic Acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Pelargonic Acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₁H₄₅FO₆
• Molecular Weight: 532.69
• CAS Registry Number: 56933-62-1
• EINECS: 260-453-7
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](C4)C)C(=O)COC(=O)CCCCCCCC)C
• InChI: 1S/C31H45FO6/c1-5-6-7-8-9-10-11-27(36)38-19-26(35)31(37)20(2)16-24-23-13-12-21-17-22(33)14-15-28(21,3)30(23,32)25(34)18-29(24,31)4/h14-15,17,20,23-25,34,37H,5-13,16,18-19H2,1-4H3/t20-,23-,24-,25-,28-,29-,30-,31-/m0/s1
• InChIKey: AWDSCRBRERQCNU-DXPBGWFQSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 645.283°C at 760 mmHg (Cal.)
• Flash point: 344.055°C (Cal.)